1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

C22H23FN2O2 — CID 93015615

About 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 93015615) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 93015615
• Molecular Formula: C22H23FN2O2
• Molecular Weight: 366.44 g/mol
• Exact Mass: 366.17
• IUPAC Name: 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1
• InChI: InChI=1S/C22H23FN2O2/c1-22(2,3)21(26)25-12-6-9-18(25)20-24-17-13-14(10-11-19(17)27-20)15-7-4-5-8-16(15)23/h4-5,7-8,10-11,13,18H,6,9,12H2,1-3H3/t18-/m1/s1
• InChIKey: QIFLDKNIWKFDHD-GOSISDBHSA-N
• XLogP: 5.34
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.44
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one (CID 93015615) is 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1.

What is the InChIKey of 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?

The InChIKey is QIFLDKNIWKFDHD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-22(2,3)21(26)25-12-6-9-18(25)20-24-17-13-14(10-11-19(17)27-20)15-7-4-5-8-16(15)23/h4-5,7-8,10-11,13,18H,6,9,12H2,1-3H3/t18-/m1/s1.

What are the key properties of 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one?

1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 366.44 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 93015615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).